Geometry & MOs

Info

ID:	166438
PubChem CID:	74688923
Reduced:	ClNO6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	405.148214
ΔH_f, kcal/mol:	-223.75
Dipole, Da:	5.67
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-[1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-1-ium-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)NCCOC)Cl)OC

DOS

IR

Vibrations